6VA
Summary
| Name: | (3~{R},4~{S})-4-azanyl-2-methyl-5-phenyl-pentane-2,3-diol |
| Formula: | C12 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 209.285 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (3~{R},4~{S})-4-azanyl-2-methyl-5-phenyl-pentane-2,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H19NO2/c1-12(2,15)11(14)10(13)8-9-6-4-3-5-7-9/h3-7,10-11,14-15H,8,13H2,1-2H3/t10-,11+/m0/s1 |
| InChIKey | InChI | 1.03 | YCMFJEDEBDIJGE-WDEREUQCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O)[C@H](O)[C@@H](N)Cc1ccccc1 |
| SMILES | CACTVS | 3.385 | CC(C)(O)[CH](O)[CH](N)Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC(C)([C@@H]([C@H](Cc1ccccc1)N)O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC(C)(C(C(Cc1ccccc1)N)O)O |
